Ethanol, 2-[(1S,3aR,4S,8aR)-decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene]-

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  • Identifiers

    CAS number
    5989-05-9

    Molecular formula
    C16H26O

    SMILES
    C[C@]12CCCC([C@@H]3[C@H]1CC[C@@H]3C2=CCO)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 90.01%
    Amber 60.48%
    Sandalwood 58.71%
    Dry 50.56%
    Cedar 49.9%
    Musk 44.47%
    Balsamic 41.16%
    Vetiver 40.31%
    Powdery 37.79%
    Sweet 33.46%

     

    Flavor
    Sweet 74.43%
    Woody 69.4%
    Balsam 49.93%
    Herbal 38.94%
    Pine 38.59%
    Wood 36.06%
    Balsamic 36.06%
    Dry 35.04%
    Spicy 33.58%
    Camphor 30.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    9.03 (weak base)

    Molecular weight
    234.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    354°C

    Flash point

    • 134.03 ˚C est.

  • Synonyms

    • DTXSID90884210
    • Ethanol, 2-[(1S,3aR,4S,8aR)-decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene]-
    • Ethanol, 2-((1S,3aR,4S,8aR)-decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene)-
    • RefChem:592264
    • DTXCID001023665
    • 5989-05-9
    • XUMDBSUTEGMQRC-OEYIWLLWSA-N
    • 2-[(1S,3aR,4S,8aR)-4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-ylidene]ethan-1-ol
    • 5989-05-9

  • Applications

    Ethanol, 2-[(1S,3aR,4S,8aR)-decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene]- (CAS 5989-05-9) is primarily used as an aroma compound in perfumery and flavor formulations; it is commonly evaluated as a fragrance ingredient and may function as a light fixative to help retain scent in complex formulations. In cosmetics and personal care, it can serve as a fragrance component; in household products such as air fresheners and cleaners, it contributes aroma characteristics. In industrial manufacturing, it can be used as an intermediate in the synthesis of fragrance and flavor compounds and as a chiral building block for related chemical transformations. Its use is subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 836.31
    methanol 994.61
    isopropanol 723.06
    water 3.4
    ethyl acetate 1099.79
    n-propanol 1005.77
    acetone 1676.37
    n-butanol 765.1
    acetonitrile 1264.34
    DMF 1615.62
    toluene 1173.53
    isobutanol 613.54
    1,4-dioxane 1902.92
    methyl acetate 907.44
    THF 4138.07
    2-butanone 1211.19
    n-pentanol 239.91
    sec-butanol 414.74
    n-hexane 36.06
    ethylene glycol 189.77
    NMP 843.7
    cyclohexane 167.09
    DMSO 1001.87
    n-butyl acetate 569.97
    n-octanol 152.58
    chloroform 2276.87
    n-propyl acetate 386.39
    acetic acid 386.86
    dichloromethane 1882.06
    cyclohexanone 1544.32
    propylene glycol 194.12
    isopropyl acetate 689.9
    DMAc 604.25
    2-ethoxyethanol 401.33
    isopentanol 553.94
    n-heptane 39.81
    ethyl formate 663.2
    1,2-dichloroethane 1340.9
    n-hexanol 437.49
    2-methoxyethanol 1141.84
    isobutyl acetate 285.05
    tetrachloromethane 467.8
    n-pentyl acetate 364.53
    transcutol 1147.39
    n-heptanol 208.56
    ethylbenzene 265.81
    MIBK 580.06
    2-propoxyethanol 848.73
    tert-butanol 596.36
    MTBE 776.67
    2-butoxyethanol 429.05
    propionic acid 466.25
    o-xylene 400.58
    formic acid 195.46
    diethyl ether 1189.22
    m-xylene 604.39
    p-xylene 282.75
    chlorobenzene 924.6
    dimethyl carbonate 522.14
    n-octane 14.33
    formamide 385.83
    cyclopentanone 2354.58
    2-pentanone 1088.44
    anisole 531.46
    cyclopentyl methyl ether 1345.89
    gamma-butyrolactone 2218.72
    1-methoxy-2-propanol 855.17
    pyridine 1635.85
    3-pentanone 785.24
    furfural 1261.79
    n-dodecane 9.25
    diethylene glycol 522.39
    diisopropyl ether 276.97
    tert-amyl alcohol 341.86
    acetylacetone 973.41
    n-hexadecane 11.45
    acetophenone 375.51
    methyl propionate 947.14
    isopentyl acetate 506.54
    trichloroethylene 2042.98
    n-nonanol 128.36
    cyclohexanol 606.33
    benzyl alcohol 341.59
    2-ethylhexanol 216.06
    isooctanol 160.55
    dipropyl ether 351.21
    1,2-dichlorobenzene 650.13
    ethyl lactate 181.26
    propylene carbonate 815.35
    n-methylformamide 1151.47
    2-pentanol 365.78
    n-pentane 78.0
    1-propoxy-2-propanol 532.65
    1-methoxy-2-propyl acetate 658.88
    2-(2-methoxypropoxy) propanol 246.06
    mesitylene 323.83
    ε-caprolactone 1049.64
    p-cymene 161.4
    epichlorohydrin 2143.0
    1,1,1-trichloroethane 1180.47
    2-aminoethanol 370.69
    morpholine-4-carbaldehyde 1011.83
    sulfolane 1394.32
    2,2,4-trimethylpentane 33.16
    2-methyltetrahydrofuran 1865.13
    n-hexyl acetate 420.85
    isooctane 36.22
    2-(2-butoxyethoxy)ethanol 370.72
    sec-butyl acetate 268.13
    tert-butyl acetate 623.2
    decalin 46.98
    glycerin 274.11
    diglyme 827.46
    acrylic acid 398.28
    isopropyl myristate 121.85
    n-butyric acid 773.44
    acetyl acetate 550.49
    di(2-ethylhexyl) phthalate 130.66
    ethyl propionate 398.76
    nitromethane 1152.67
    1,2-diethoxyethane 472.0
    benzonitrile 680.77
    trioctyl phosphate 103.71
    1-bromopropane 856.84
    gamma-valerolactone 2160.6
    n-decanol 87.32
    triethyl phosphate 148.92
    4-methyl-2-pentanol 239.11
    propionitrile 1212.32
    vinylene carbonate 884.81
    1,1,2-trichlorotrifluoroethane 767.8
    DMS 391.71
    cumene 151.6
    2-octanol 120.95
    2-hexanone 355.7
    octyl acetate 154.81
    limonene 207.65
    1,2-dimethoxyethane 818.57
    ethyl orthosilicate 146.14
    tributyl phosphate 120.32
    diacetone alcohol 498.47
    N,N-dimethylaniline 270.11
    acrylonitrile 1263.73
    aniline 840.01
    1,3-propanediol 601.18
    bromobenzene 1013.68
    dibromomethane 1363.53
    1,1,2,2-tetrachloroethane 1316.29
    2-methyl-cyclohexyl acetate 241.71
    tetrabutyl urea 135.77
    diisobutyl methanol 144.39
    2-phenylethanol 426.1
    styrene 346.32
    dioctyl adipate 157.82
    dimethyl sulfate 555.44
    ethyl butyrate 341.25
    methyl lactate 334.75
    butyl lactate 261.57
    diethyl carbonate 222.22
    propanediol butyl ether 293.97
    triethyl orthoformate 245.2
    p-tert-butyltoluene 166.86
    methyl 4-tert-butylbenzoate 308.29
    morpholine 2086.01
    tert-butylamine 390.0
    n-dodecanol 61.31
    dimethoxymethane 1609.13
    ethylene carbonate 833.8
    cyrene 267.86
    2-ethoxyethyl acetate 558.87
    2-ethylhexyl acetate 371.61
    1,2,4-trichlorobenzene 697.87
    4-methylpyridine 1461.25
    dibutyl ether 191.89
    2,6-dimethyl-4-heptanol 144.39
    DEF 747.17
    dimethyl isosorbide 495.23
    tetrachloroethylene 895.03
    eugenol 292.5
    triacetin 324.4
    span 80 220.68
    1,4-butanediol 141.4
    1,1-dichloroethane 1357.74
    2-methyl-1-pentanol 198.49
    methyl formate 929.98
    2-methyl-1-butanol 480.01
    n-decane 19.01
    butyronitrile 1038.76
    3,7-dimethyl-1-octanol 152.74
    1-chlorooctane 117.03
    1-chlorotetradecane 34.68
    n-nonane 18.35
    undecane 12.67
    tert-butylcyclohexane 41.04
    cyclooctane 56.66
    cyclopentanol 716.98
    tetrahydropyran 2320.13
    tert-amyl methyl ether 398.13
    2,5,8-trioxanonane 414.44
    1-hexene 151.96
    2-isopropoxyethanol 258.22
    2,2,2-trifluoroethanol 232.22
    methyl butyrate 468.58

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction